Geometry & MOs

Info

ID:	338569
PubChem CID:	127259580
Reduced:	O4N5C10H13 (1)
Stoich.:	A4B5C10D13 (1)
Weight, g/mol:	324.094408
ΔH_f, kcal/mol:	-97.76
Dipole, Da:	9.5
IP(EA), eV:	-9.19(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]acetate

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@H]([C@@H](O1)N2C=NC3=NC=NC(=C32)N)O)O)O

DOS

IR

Vibrations